Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
HCID
42642372
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
O=C(NCc1ccc(F)cc1Cl)C1CCC(=O)N1Cc1ccccc1
InChIKey
RHQHVNCBLRJDET-UHFFFAOYSA-N
Molecular formula
C19H18ClFN2O2
Average molar mass
360.8 g/mol
Names & identifiers
Preferred name
1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
IUPAC
1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL2579574
Database identifiers
PubChem CID
42642372
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
484
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
87180
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
Loading…